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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
6-C-alpha-L-arabinosyl-8-C-beta-L-arabinosylapigenin
|
534.50
|
-2.1
|
9
|
13
|
230.74
|
3
|
|
|
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]-6-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]-4H-1-benzopyran-4-one
|
564.50
|
-2.2
|
9
|
14
|
239.97
|
4
|
|
|
5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxo-4H-1-benzopyran-7-yl 6-O-(carboxyacetyl)-beta-D-glucopyranoside
|
578.50
|
0.5
|
6
|
15
|
231.88
|
10
|
|
|
(2S,3R)-2-[4-(5,7-dihydroxy-4-oxo-4H-1-benzopyran-2-yl)-2,6-dimethoxyphenoxy]-3-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propyl beta-D-glucopyranoside
|
688.60
|
1.2
|
8
|
16
|
247.43
|
12
|
|
|
2-(4-{[(1S,2S)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-3,5-dimethoxyphenyl)-5-hydroxy-4-oxo-4H-1-benzopyran-7-yl beta-D-glucopyranoside
|
688.60
|
1
|
8
|
16
|
247.43
|
12
|
|
|
N(5)-hydroxy-N(5)-[(2E)-5-hydroxy-3-methylpent-2-enoyl]-L-ornithine
|
260.29
|
-3
|
4
|
6
|
124.09
|
8
|
|
|
Cochlioquinone I
|
486.60
|
2.6
|
2
|
7
|
110.13
|
4
|
|
|
Cyanidin 3-(6''-acetyl-galactoside)
|
491.40
|
|
7
|
11
|
197.67
|
6
|
|
|
(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-17-[(2S)-2-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-methylhept-5-en-2-yl]-3,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
963.20
|
1.1
|
13
|
19
|
318.37
|
13
|
|
|
Gynosaponin TN2
|
785.00
|
3
|
9
|
13
|
218.99
|
9
|
|
|
Kaempulchraol P
|
288.50
|
5.9
|
1
|
1
|
20.23
|
1
|
|
|
Kaempulchraol Q
|
346.50
|
4.9
|
1
|
3
|
46.53
|
3
|
|
|
[(4aS,4bS,7R,9R,10aS)-7-ethenyl-4b-hydroxy-1,1,4a,7-tetramethyl-2,3,4,5,6,9,10,10a-octahydrophenanthren-9-yl] acetate
|
346.50
|
4.7
|
1
|
3
|
46.53
|
3
|
|
|
[(4aR,4bR,7R,9S,10S,10aS)-7-ethenyl-10-hydroxy-1,1,4a,7-tetramethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthren-9-yl] acetate
|
346.50
|
5.3
|
1
|
3
|
46.53
|
3
|
|
|
(2R)-2-[(2R)-1-acetylpyrrolidin-2-yl]-4-methyl-2H-furan-5-one
|
209.24
|
0.7
|
0
|
3
|
46.61
|
1
|
|
|
(2R)-2-[(2S)-1-acetylpyrrolidin-2-yl]-4-methyl-2H-furan-5-one
|
209.24
|
0.7
|
0
|
3
|
46.61
|
1
|
|
|
2-methyl-6,7-dihydro-5H-indolizin-3-one
|
149.19
|
1.2
|
0
|
1
|
20.31
|
0
|
|
|
N-[(4Z)-4-(4-methyl-5-oxofuran-2-ylidene)butyl]acetamide
|
209.24
|
1
|
1
|
3
|
55.4
|
4
|
|
|
3-methyl-6-[(4Z)-4-(4-methyl-5-oxofuran-2-ylidene)butyl]-1,6-diazaspiro[4.5]dec-3-en-2-one
|
316.40
|
2.3
|
1
|
4
|
58.64
|
4
|
|
|
(E)-1-[2,4-dihydroxy-3-[(2R)-2-hydroxy-7-methyl-3-methylideneoct-6-enyl]phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
|
408.50
|
5.9
|
4
|
5
|
97.99
|
9
|
|
|
2-[(2'R,3R,4aS,7S,8R,8aS)-3-hydroxy-2',4,4,7,8a-pentamethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,5'-oxolane]-2'-yl]acetic acid
|
338.50
|
3.6
|
2
|
4
|
66.76
|
2
|
|
|
2-[(2'R,3R,4aS,7S,8R,8aS)-3-acetyloxy-2',4,4,7,8a-pentamethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,5'-oxolane]-2'-yl]acetic acid
|
380.50
|
4.2
|
1
|
5
|
72.83
|
4
|
|
|
2-[(2'R,4aS,7S,8R,8aS)-2',4,4,7,8a-pentamethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,5'-oxolane]-2'-yl]acetic acid
|
322.50
|
5
|
1
|
3
|
46.53
|
2
|
|
|
3-[2-[(1R,2S,4aS,8aS)-1-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-naphthalen-1-yl]ethyl]-2H-furan-5-one
|
320.50
|
4.4
|
1
|
3
|
46.53
|
3
|
|
|
3-[2-[(1R,2S,6R,8aS)-6-hydroxy-1,2,5,5-tetramethyl-2,3,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-2H-furan-5-one
|
318.40
|
3.5
|
1
|
3
|
46.53
|
3
|
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